CID 3002925

Ethyl 2-(2-cyclohexyl-4-quinolyl)acetate

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCOC(=O)CC1=CC(=NC2=CC=CC=C21)C3CCCCC3
InChI
InChI=1S/C19H23NO2/c1-2-22-19(21)13-15-12-18(14-8-4-3-5-9-14)20-17-11-7-6-10-16(15)17/h6-7,10-12,14H,2-5,8-9,13H2,1H3
InChIKey
BCRVRVMKOJUIDN-UHFFFAOYSA-N
Compound name
ethyl 2-(2-cyclohexylquinolin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.17288 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 171.9
[M+Na]+ 320.16210 176.2
[M-H]- 296.16560 176.6
[M+NH4]+ 315.20670 186.2
[M+K]+ 336.13604 171.9
[M+H-H2O]+ 280.17014 162.5
[M+HCOO]- 342.17108 188.2
[M+CH3COO]- 356.18673 204.0
[M+Na-2H]- 318.14755 174.7
[M]+ 297.17233 169.6
[M]- 297.17343 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.